tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane

C24H38O3Si — CID 102400011

IUPACtert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane
SMILESC=CC[C@H]1O[C@H](CCOCc2ccccc2)CC(=C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H38O3Si/c1-8-12-22-23(27-28(6,7)24(3,4)5)19(2)17-21(26-22)15-16-25-18-20-13-10-9-11-14-20/h8-11,13-14,21-23H,1-2,12,15-18H2,3-7H3/t21-,22-,23-/m1/s1
InChIKeyZTXVMSHWNXJAJQ-DNVJHFABSA-N
MW402.65 g/mol
LogP6.27
Rot. Bonds9

About tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane

tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane (PubChem CID 102400011) has the molecular formula C24H38O3Si and a molecular weight of 402.65 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane
PubChem CID102400011
Molecular FormulaC24H38O3Si
Molecular Weight402.65 g/mol
Exact Mass402.26
IUPAC Nametert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane
SMILESC=CC[C@H]1O[C@H](CCOCc2ccccc2)CC(=C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H38O3Si/c1-8-12-22-23(27-28(6,7)24(3,4)5)19(2)17-21(26-22)15-16-25-18-20-13-10-9-11-14-20/h8-11,13-14,21-23H,1-2,12,15-18H2,3-7H3/t21-,22-,23-/m1/s1
InChIKeyZTXVMSHWNXJAJQ-DNVJHFABSA-N
XLogP6.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.65
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane
CID 102400006
[(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 42643409
tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 72723984
tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane
CID 53350176
tert-butyl-[2-[(6R)-4-methylidene-6-(phenylmethoxymethyl)oxan-2-yl]ethoxy]-diphenylsilane
CID 101170902
methyl 2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidene-4-(3-phenylmethoxypropoxy)cyclohexylidene]acetate
CID 173270962
(2S,3R)-3-(2-phenylmethoxyethyl)oxirane-2-carbaldehyde
CID 131847944
tert-butyl-[(1R,2R,4S,5S)-5-ethenyl-5-methyl-2-(2-phenylmethoxyethyl)-4-prop-1-en-2-ylcyclohexyl]oxy-dimethylsilane
CID 11212530
[(2S,3S,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylmethoxy-2-prop-2-enyloxolan-3-yl]methanesulfonic acid
CID 122224046
[(2S,3R,4R,6S)-4-phenylmethoxy-6-(3-phenylmethoxypropyl)-2-prop-2-enyloxan-3-yl] acetate
CID 101117759
(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
ethenyl-dimethyl-(2-phenylmethoxyethoxy)silane
CID 86214718

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane (CID 102400011) is tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane is C=CC[C@H]1O[C@H](CCOCc2ccccc2)CC(=C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane?
The InChIKey is ZTXVMSHWNXJAJQ-DNVJHFABSA-N. The full InChI is InChI=1S/C24H38O3Si/c1-8-12-22-23(27-28(6,7)24(3,4)5)19(2)17-21(26-22)15-16-25-18-20-13-10-9-11-14-20/h8-11,13-14,21-23H,1-2,12,15-18H2,3-7H3/t21-,22-,23-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane?
tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane has a molecular weight of 402.65 g/mol, XLogP of 6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane is sourced from PubChem (CID 102400011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).